Geometry & MOs

Info

ID:	147559
PubChem CID:	53787215
Reduced:	SN3O5C25H33 (1)
Stoich.:	AB3C5D25E33 (1)
Weight, g/mol:	181.121512
ΔH_f, kcal/mol:	-149.65
Dipole, Da:	5.02
IP(EA), eV:	-8.3(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-3-pyrimidin-5-yloxypropan-1-amine

Drug info:

PubChemData

Smile

CCCS(=O)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)CC(C3COC4=CC=CC=C4O3)O

DOS

IR

Vibrations